Figure 1
Plots from POINTLESS of axial reflections for the P212121 example shown in Table 1: (a) h00, (b) 0k0, (c) 00l. In each case I/σ(I) alternates between weak and strong for odd and even indices, respectively, indicating a 21 screw axis in each direction. With only three observations along the h00 axis, assignment of a screw along a is far less certain than along b and c (see Table 1c). The plot of I′/σ(I) (almost the same in this case) uses a modified value of I, subtracting 2% of the neighbouring axial reflection to allow for possible contamination of weak reflections by a strong neighbour. All panels in Figs. 1–5 are monochrome versions of plots from LOGGRAPH essentially as they appear from ccp4i. |